Distance based and bond additive topological indices of certain repurposed antiviral drug compounds tested for treating COVID-19

被引:57
|
作者
Liu, Jia-Bao [1 ]
Arockiaraj, Micheal [2 ]
Arulperumjothi, M. [3 ]
Prabhu, Savari [4 ]
机构
[1] Anhui Jianzhu Univ, Sch Math & Phys, Hefei, Peoples R China
[2] Loyola Coll, Dept Math, Chennai, Tamil Nadu, India
[3] Univ Madras, Dept Math, Loyola Coll, Chennai 600034, Tamil Nadu, India
[4] Sri Venkateswara Coll Engn, Dept Math, Sriperumbudur, Tamil Nadu, India
关键词
bond additive measures; COVID-19; drugs; molecular descriptors; Wiener indices; MOLECULAR-STRUCTURES; CHLOROQUINE; HYDROXYCHLOROQUINE;
D O I
10.1002/qua.26617
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The entire world is struggling to control the spread of coronavirus (COVID-19) as there are no proper drugs for treating the disease. Under clinical trials, some of the repurposed antiviral drugs have been applied to COVID-19 patients and reported the efficacy of the drugs with the diverse inferences. Molecular topology has been developed in recent years as an influential approach for drug design and discovery in which molecules that are structurally related show similar pharmacological properties. It permits a purely mathematical description of the molecular structure so that in the development of identification of new drugs can be found through adequate topological indices. In this paper, we study the structural properties of the several antiviral drugs such as chloroquine, hydroxychloroquine, lopinavir, ritonavir, remdesivir, theaflavin, nafamostat, camostat, umifenovir and bevacizumab by considering the distance and bond measures of chemical compounds. Our quantitative values of the topological indices are extremely useful in the recent development of designing new drugs for COVID-19.
引用
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页数:17
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